6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine

C9H17N5O — CID 80776108

IUPAC6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(C)c1nc(N)nc(OCC)n1
InChIInChI=1S/C9H17N5O/c1-4-6-14(3)8-11-7(10)12-9(13-8)15-5-2/h4-6H2,1-3H3,(H2,10,11,12,13)
InChIKeyKFTJDOKDFFTDGE-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.70
Rot. Bonds5

About 6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80776108) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80776108
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(C)c1nc(N)nc(OCC)n1
InChIInChI=1S/C9H17N5O/c1-4-6-14(3)8-11-7(10)12-9(13-8)15-5-2/h4-6H2,1-3H3,(H2,10,11,12,13)
InChIKeyKFTJDOKDFFTDGE-UHFFFAOYSA-N
XLogP0.70
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80847735
2-N-(2-methoxyethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80795309
2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80851949
6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792073
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile
CID 80811099
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 105420965
6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80763865
6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80810648
2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80852394
6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80795329
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol
CID 80772588
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80834687

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 80776108) is 6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCN(C)c1nc(N)nc(OCC)n1.
What is the InChIKey of 6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KFTJDOKDFFTDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-4-6-14(3)8-11-7(10)12-9(13-8)15-5-2/h4-6H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 211.27 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80776108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).